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Fix for installation of Psi4

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@seamm seamm released this 23 Oct 17:13
· 53 commits to main since this release
c4fce67
  • Psi4 is now available on CondaForge, so install from there if requested.
  • Psi4 crashes if asked to optimize and atom, so change to doing a single point energy is optimization is requested for and atom.